Sugi Predict

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SCHEMBL507264

SCHEMBL507264

CN(c1ccc2c(c1)CCO2)c1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.41
▸ ESR1 P03372 4/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ RIPK1 Q13546 2/20 0.37
▸ FABP4 P15090 4/20 0.36
▸ FABP3 P05413 2/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ WDR5 P61964 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL507263 0.75 MAPT (0.41) PKMESR1ESR2FABP4FABP3
Succinic Acid SCHEMBL507817 0.75 SLC6A9 (0.39) PKMSLC6A9FABP4FABP3EGFR
SCHEMBL508032 0.74 ESR1 (0.34) ESR1ESR2ACKR3
SCHEMBL2369928 0.73 ACKR3 (0.35) ESR1ESR2ACKR3
SCHEMBL5733002 0.73 SLC6A9 (0.34) SLC6A9FABP4FABP3EGFRPDGFRB
SCHEMBL2258012 0.71 ESR1 (0.48) PKMESR1ESR2ACKR3
SCHEMBL507390 0.70 ESR1 (0.39) ESR1ESR2SLC6A9ACKR3
SCHEMBL506894 0.70 ESR1 (0.43) PKMESR1ESR2ACKR3
SCHEMBL506164 0.69 ESR1 (0.55) PKMESR1ESR2ACKR3
SCHEMBL507340 0.69 SLC22A12 (0.35) ESR1ESR2ACKR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 — — EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 — — US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 — — EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 — — US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 PKM 4612/4885ESR1 331/4885ESR2 210/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PKM 4340/4885ESR1 311/4885ESR2 319/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.